Geometry & MOs

Info

ID:

230326

PubChem CID:

87570654

Reduced:

SN2O3C25H38 (1)

Stoich.:

AB2C3D25E38 (1)

Weight, g/mol:

581.346486

ΔHf, kcal/mol:

-152.83

Dipole, Da:

4.76

IP(EA), eV:

 -8.47(-0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[(2S,3S,5S)-3-amino-2-hydroxy-5-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-6-methylheptyl]amino]-4-(3-phenylpropylamino)cyclobut-3-ene-1,2-dione

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN(C2CCN(CC2)C(=O)OC(C)(C)C)C(=S)CC3CCOCC3

DOS

IR

Vibrations